CID 56574

Brn 2886937

Structural Information

Molecular Formula
C16H26N2O3
SMILES
CC(=O)N(CC(=O)N(C)C)C1C2CCC(C1=O)(C2(C)C)C
InChI
InChI=1S/C16H26N2O3/c1-10(19)18(9-12(20)17(5)6)13-11-7-8-16(4,14(13)21)15(11,2)3/h11,13H,7-9H2,1-6H3
InChIKey
OUYFKQDNKVXQAH-UHFFFAOYSA-N
Compound name
2-[acetyl-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.19434 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.201616 168.3
[M+Na]+ 317.183558 174.5
[M-H]- 293.187064 173.8
[M+NH4]+ 312.228163 193.7
[M+K]+ 333.157498 174.6
[M+H-H2O]+ 277.191600 165.5
[M+HCOO]- 339.192541 189.1
[M+CH3COO]- 353.208191 215.7
[M+Na-2H]- 315.169006 167.9
[M]+ 294.19379142 172.1
[M]- 294.19488858 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.